Charge: 2
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+2
Electronic States
Energy
(eV)
-462.71585
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04692 b
(cm-1)
0.03973 c
(cm-1)
0.02169
Dipole Moments
mu_x(Debye)
0.00000 mu_y
(Debye)
0.00000 mu_z
(Debye)
0.33048
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
0.12500
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
0.00301
2
0.00000
0.00000
0.01154
3
-0.00206
0.00000
0.01863
4
0.00206
0.00000
0.01863
5
-0.00130
0.00000
-0.00905
6
0.00130
0.00000
-0.00905
7
0.01099
0.00000
0.00777
8
-0.01099
0.00000
0.00777
9
0.01685
0.00000
-0.02283
10
-0.01685
0.00000
-0.02283
11
0.17834
0.00000
-0.00498
12
-0.17834
0.00000
-0.00498
13
-0.04308
0.00000
-0.01256
14
0.04308
0.00000
-0.01256
15
0.01892
0.00000
-0.00311
16
-0.01892
0.00000
-0.00311
17
0.01536
0.00000
-0.02861
18
-0.01536
0.00000
-0.02861
19
0.21467
0.01370
0.04116
20
0.21467
-0.01370
0.04116
21
-0.21467
0.01370
0.04116
22
-0.21467
-0.01370
0.04116